SCHEMBL16985197

SCHEMBL16985197

CCOC(=O)CCCN(CC)c1cc(OC)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
PPARG P37231 1/20 0.43
ALDH1A1 P00352 7/20 0.40
HPGD P15428 6/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
GAA P10253 2/20 0.40
ALOX5 P09917 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 4/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTPN1 P18031 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16985198 0.91 ALDH1A1 (0.41) PPARGALDH1A1MEN1KMT2ALMNA
SCHEMBL2502826 0.89 TSHR (0.44) TSHRPPARGALDH1A1HPGDGAA
SCHEMBL4275474 0.88 TSHR (0.43) TSHRPPARGALDH1A1HPGDNPC1
SCHEMBL2502597 0.86 NLRP3 (0.43) TSHRALDH1A1HPGDALOX5MEN1
SCHEMBL2502591 0.80 MTNR1A (0.52) TSHRPPARGALDH1A1MEN1KMT2A
SCHEMBL17030789 0.80 PDE3B (0.40) ALDH1A1GAAKMT2AKDM4ELMNA
SCHEMBL11310244 0.78 CRHR1 (0.42) TSHRALDH1A1HPGDNPC1RAB9A
SCHEMBL14013331 0.78 LTA4H (0.40) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL14163399 0.76 TNF (0.39) ALDH1A1ALOX5MEN1KMT2AKDM4E
SCHEMBL12061824 0.75 ALOX5 (0.40) ALDH1A1ALOX5MEN1KMT2AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145214-A1 FLUOROGENIC PH-SENSITIVE DYES AND THEIR METHODS OF USE (II) Life Technologies Corporation 2017-05-25 US disclosed
US-9599622-B2 Fluorogenic pH-sensitive dyes and their methods of use (II) Life Technologies Corporation (US) 2017-03-21 US disclosed
US-20150241438-A1 Fluorogenic pH-Sensitive Dyes and Their Methods of Use Life Technologies Corporation 2015-08-27 US disclosed
US-20150218379-A1 Fluorogenic pH-Sensitive Dyes and Their Methods of Use (II) Life Technologies Corporation 2015-08-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150241438-A1 Fluorogenic pH-Sensitive Dyes and Their Methods of Use ALPG, XDH, HEXD TSHR 4478/4885PPARG 4206/4885ALDH1A1 960/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.